USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= -7.98! C(o=-8!,f=-9.9!) USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0245) USER MOD Single : A 12 ASN :FLIP amide:sc= 0.00324 F(o=-1,f=0.0032) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc=-0.00705 (180deg=-0.00705) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -7.17! C(o=-7.2!,f=-9.8!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=-0.35) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= 0.164 (180deg=-0.509!) USER MOD Single : A 37 THR OG1 : rot 170:sc= -1.28! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 46:sc= -5.11! USER MOD Single : A 45 LYS NZ :NH3+ -139:sc= -0.209 (180deg=-1.77!) USER MOD Single : A 51 ASN : amide:sc= -12.3! C(o=-12!,f=-21!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= -0.127 (180deg=-0.445) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.077 USER MOD Single : A 58 ASN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 62 SER OG : rot 19:sc= -0.599 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 149:sc= -0.024 (180deg=-1.35) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -6.722 8.349 -1.570 1.00 0.00 N ATOM 21 CA ASP A 2 -6.316 9.749 -1.538 1.00 0.00 C ATOM 22 C ASP A 2 -4.817 9.881 -1.777 1.00 0.00 C ATOM 23 O ASP A 2 -4.008 9.459 -0.954 1.00 0.00 O ATOM 24 CB ASP A 2 -6.687 10.379 -0.196 1.00 0.00 C ATOM 25 CG ASP A 2 -6.915 11.875 -0.303 1.00 0.00 C ATOM 26 OD1 ASP A 2 -6.481 12.471 -1.311 1.00 0.00 O ATOM 27 OD2 ASP A 2 -7.528 12.449 0.622 1.00 0.00 O ATOM 0 HA ASP A 2 -6.843 10.274 -2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.589 9.903 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.893 10.186 0.525 1.00 0.00 H new ATOM 32 N SER A 3 -4.452 10.481 -2.901 1.00 0.00 N ATOM 33 CA SER A 3 -3.049 10.652 -3.247 1.00 0.00 C ATOM 34 C SER A 3 -2.275 11.297 -2.103 1.00 0.00 C ATOM 35 O SER A 3 -1.063 11.130 -1.995 1.00 0.00 O ATOM 36 CB SER A 3 -2.915 11.498 -4.514 1.00 0.00 C ATOM 37 OG SER A 3 -1.664 12.163 -4.557 1.00 0.00 O ATOM 0 H SER A 3 -5.106 10.857 -3.587 1.00 0.00 H new ATOM 0 HA SER A 3 -2.625 9.665 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.022 10.861 -5.392 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.721 12.231 -4.552 1.00 0.00 H new ATOM 0 HG SER A 3 -1.604 12.695 -5.378 1.00 0.00 H new ATOM 43 N LYS A 4 -2.979 12.040 -1.255 1.00 0.00 N ATOM 44 CA LYS A 4 -2.346 12.726 -0.134 1.00 0.00 C ATOM 45 C LYS A 4 -1.912 11.746 0.956 1.00 0.00 C ATOM 46 O LYS A 4 -0.785 11.813 1.449 1.00 0.00 O ATOM 47 CB LYS A 4 -3.302 13.763 0.456 1.00 0.00 C ATOM 48 CG LYS A 4 -3.007 15.187 0.007 1.00 0.00 C ATOM 49 CD LYS A 4 -4.233 16.075 0.128 1.00 0.00 C ATOM 50 CE LYS A 4 -4.657 16.247 1.578 1.00 0.00 C ATOM 51 NZ LYS A 4 -6.073 16.692 1.692 1.00 0.00 N ATOM 0 H LYS A 4 -3.987 12.182 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.454 13.224 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.323 13.506 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.250 13.716 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.197 15.599 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.663 15.179 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.021 17.051 -0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.054 15.642 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.529 15.303 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.007 16.976 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.324 16.798 2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.190 17.605 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.696 15.985 1.252 1.00 0.00 H new ATOM 65 N GLU A 5 -2.813 10.848 1.344 1.00 0.00 N ATOM 66 CA GLU A 5 -2.518 9.868 2.377 1.00 0.00 C ATOM 67 C GLU A 5 -1.606 8.787 1.834 1.00 0.00 C ATOM 68 O GLU A 5 -0.675 8.337 2.501 1.00 0.00 O ATOM 69 CB GLU A 5 -3.827 9.270 2.893 1.00 0.00 C ATOM 70 CG GLU A 5 -4.448 8.221 1.999 1.00 0.00 C ATOM 71 CD GLU A 5 -5.921 8.022 2.302 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.246 7.665 3.453 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.747 8.227 1.388 1.00 0.00 O ATOM 0 H GLU A 5 -3.754 10.781 0.956 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.001 10.355 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.646 8.829 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.546 10.077 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.328 8.515 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.920 7.276 2.127 1.00 0.00 H new ATOM 80 N VAL A 6 -1.870 8.407 0.601 1.00 0.00 N ATOM 81 CA VAL A 6 -1.071 7.399 -0.077 1.00 0.00 C ATOM 82 C VAL A 6 0.385 7.843 -0.185 1.00 0.00 C ATOM 83 O VAL A 6 1.297 7.058 0.057 1.00 0.00 O ATOM 84 CB VAL A 6 -1.636 7.099 -1.477 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.734 6.143 -2.238 1.00 0.00 C ATOM 86 CG2 VAL A 6 -3.039 6.532 -1.354 1.00 0.00 C ATOM 0 H VAL A 6 -2.636 8.782 0.042 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.114 6.486 0.517 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.679 8.031 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.158 5.949 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.255 6.587 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.651 5.206 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.435 6.321 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.009 5.611 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.682 7.256 -0.854 1.00 0.00 H new ATOM 96 N LEU A 7 0.604 9.106 -0.532 1.00 0.00 N ATOM 97 CA LEU A 7 1.962 9.626 -0.623 1.00 0.00 C ATOM 98 C LEU A 7 2.618 9.599 0.750 1.00 0.00 C ATOM 99 O LEU A 7 3.773 9.200 0.889 1.00 0.00 O ATOM 100 CB LEU A 7 1.976 11.044 -1.200 1.00 0.00 C ATOM 101 CG LEU A 7 2.676 11.187 -2.559 1.00 0.00 C ATOM 102 CD1 LEU A 7 4.179 11.314 -2.369 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.351 10.007 -3.470 1.00 0.00 C ATOM 0 H LEU A 7 -0.129 9.780 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 7 2.530 8.989 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.947 11.389 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.465 11.706 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 7 2.306 12.094 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.661 11.415 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.396 12.194 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.559 10.425 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.860 10.134 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.686 9.082 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.275 9.961 -3.635 1.00 0.00 H new ATOM 115 N VAL A 8 1.856 9.976 1.771 1.00 0.00 N ATOM 116 CA VAL A 8 2.346 9.901 3.139 1.00 0.00 C ATOM 117 C VAL A 8 2.759 8.467 3.439 1.00 0.00 C ATOM 118 O VAL A 8 3.836 8.205 3.984 1.00 0.00 O ATOM 119 CB VAL A 8 1.274 10.343 4.151 1.00 0.00 C ATOM 120 CG1 VAL A 8 1.777 10.172 5.578 1.00 0.00 C ATOM 121 CG2 VAL A 8 0.855 11.780 3.890 1.00 0.00 C ATOM 0 H VAL A 8 0.905 10.333 1.677 1.00 0.00 H new ATOM 0 HA VAL A 8 3.197 10.575 3.235 1.00 0.00 H new ATOM 0 HB VAL A 8 0.398 9.706 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.004 10.490 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.018 9.124 5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.670 10.779 5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.097 12.075 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.721 12.435 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.446 11.863 2.883 1.00 0.00 H new ATOM 131 N HIS A 9 1.900 7.538 3.034 1.00 0.00 N ATOM 132 CA HIS A 9 2.181 6.123 3.193 1.00 0.00 C ATOM 133 C HIS A 9 3.516 5.798 2.546 1.00 0.00 C ATOM 134 O HIS A 9 4.281 4.974 3.047 1.00 0.00 O ATOM 135 CB HIS A 9 1.065 5.286 2.567 1.00 0.00 C ATOM 136 CG HIS A 9 -0.282 5.561 3.158 1.00 0.00 C ATOM 137 ND1 HIS A 9 -0.455 6.078 4.425 1.00 0.00 N ATOM 138 CD2 HIS A 9 -1.525 5.413 2.642 1.00 0.00 C ATOM 139 CE1 HIS A 9 -1.745 6.226 4.666 1.00 0.00 C ATOM 140 NE2 HIS A 9 -2.415 5.835 3.598 1.00 0.00 N ATOM 0 H HIS A 9 1.003 7.744 2.593 1.00 0.00 H new ATOM 0 HA HIS A 9 2.231 5.883 4.255 1.00 0.00 H new ATOM 0 HB2 HIS A 9 1.031 5.482 1.495 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.300 4.229 2.691 1.00 0.00 H new ATOM 0 HD1 HIS A 9 0.296 6.310 5.075 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.770 5.034 1.661 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.178 6.603 5.581 1.00 0.00 H new ATOM 149 N VAL A 10 3.807 6.484 1.444 1.00 0.00 N ATOM 150 CA VAL A 10 5.080 6.320 0.767 1.00 0.00 C ATOM 151 C VAL A 10 6.202 6.837 1.650 1.00 0.00 C ATOM 152 O VAL A 10 7.324 6.362 1.573 1.00 0.00 O ATOM 153 CB VAL A 10 5.134 7.033 -0.595 1.00 0.00 C ATOM 154 CG1 VAL A 10 6.430 6.688 -1.317 1.00 0.00 C ATOM 155 CG2 VAL A 10 3.930 6.662 -1.443 1.00 0.00 C ATOM 0 H VAL A 10 3.177 7.156 1.006 1.00 0.00 H new ATOM 0 HA VAL A 10 5.200 5.253 0.578 1.00 0.00 H new ATOM 0 HB VAL A 10 5.108 8.109 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.457 7.198 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.279 7.008 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.482 5.611 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.988 7.177 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.920 5.585 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.017 6.958 -0.927 1.00 0.00 H new ATOM 165 N LYS A 11 5.903 7.853 2.456 1.00 0.00 N ATOM 166 CA LYS A 11 6.883 8.387 3.392 1.00 0.00 C ATOM 167 C LYS A 11 7.421 7.259 4.261 1.00 0.00 C ATOM 168 O LYS A 11 8.633 7.081 4.409 1.00 0.00 O ATOM 169 CB LYS A 11 6.242 9.462 4.268 1.00 0.00 C ATOM 170 CG LYS A 11 7.230 10.486 4.803 1.00 0.00 C ATOM 171 CD LYS A 11 6.525 11.597 5.563 1.00 0.00 C ATOM 172 CE LYS A 11 7.249 12.926 5.408 1.00 0.00 C ATOM 173 NZ LYS A 11 8.641 12.867 5.933 1.00 0.00 N ATOM 0 H LYS A 11 4.996 8.319 2.479 1.00 0.00 H new ATOM 0 HA LYS A 11 7.705 8.836 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.475 9.978 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.740 8.982 5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.947 9.993 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.797 10.913 3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.502 11.695 5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.465 11.335 6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.270 13.207 4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.696 13.704 5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.058 13.819 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.629 12.510 6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.209 12.230 5.339 1.00 0.00 H new ATOM 187 N ASN A 12 6.501 6.462 4.788 1.00 0.00 N ATOM 188 CA ASN A 12 6.861 5.299 5.575 1.00 0.00 C ATOM 189 C ASN A 12 7.548 4.276 4.689 1.00 0.00 C ATOM 190 O ASN A 12 8.622 3.769 5.009 1.00 0.00 O ATOM 191 CB ASN A 12 5.606 4.692 6.195 1.00 0.00 C ATOM 192 CG ASN A 12 4.806 5.702 6.994 1.00 0.00 C ATOM 193 OD1 ASN A 12 3.900 6.403 6.324 1.00 0.00 O flip ATOM 194 ND2 ASN A 12 4.998 5.848 8.202 1.00 0.00 N flip ATOM 0 H ASN A 12 5.497 6.604 4.682 1.00 0.00 H new ATOM 0 HA ASN A 12 7.544 5.597 6.371 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.978 4.279 5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.890 3.863 6.844 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.705 5.288 8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.450 6.529 8.727 1.00 0.00 H new ATOM 201 N LEU A 13 6.924 4.009 3.549 1.00 0.00 N ATOM 202 CA LEU A 13 7.477 3.104 2.555 1.00 0.00 C ATOM 203 C LEU A 13 8.919 3.511 2.240 1.00 0.00 C ATOM 204 O LEU A 13 9.812 2.672 2.153 1.00 0.00 O ATOM 205 CB LEU A 13 6.592 3.161 1.299 1.00 0.00 C ATOM 206 CG LEU A 13 6.794 2.060 0.249 1.00 0.00 C ATOM 207 CD1 LEU A 13 6.249 2.493 -1.102 1.00 0.00 C ATOM 208 CD2 LEU A 13 8.250 1.718 0.113 1.00 0.00 C ATOM 0 H LEU A 13 6.024 4.413 3.290 1.00 0.00 H new ATOM 0 HA LEU A 13 7.493 2.081 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.550 3.136 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.754 4.124 0.815 1.00 0.00 H new ATOM 0 HG LEU A 13 6.248 1.178 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.404 1.696 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.183 2.702 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.769 3.392 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.372 0.936 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.805 2.604 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.632 1.365 1.071 1.00 0.00 H new ATOM 220 N GLU A 14 9.131 4.813 2.117 1.00 0.00 N ATOM 221 CA GLU A 14 10.442 5.376 1.833 1.00 0.00 C ATOM 222 C GLU A 14 11.479 4.877 2.825 1.00 0.00 C ATOM 223 O GLU A 14 12.543 4.397 2.440 1.00 0.00 O ATOM 224 CB GLU A 14 10.364 6.900 1.883 1.00 0.00 C ATOM 225 CG GLU A 14 10.306 7.550 0.511 1.00 0.00 C ATOM 226 CD GLU A 14 10.149 9.056 0.587 1.00 0.00 C ATOM 227 OE1 GLU A 14 10.784 9.677 1.466 1.00 0.00 O ATOM 228 OE2 GLU A 14 9.388 9.616 -0.230 1.00 0.00 O ATOM 0 H GLU A 14 8.394 5.512 2.212 1.00 0.00 H new ATOM 0 HA GLU A 14 10.747 5.056 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.481 7.192 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.231 7.283 2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.216 7.310 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.473 7.129 -0.052 1.00 0.00 H new ATOM 235 N LYS A 15 11.162 4.994 4.104 1.00 0.00 N ATOM 236 CA LYS A 15 12.071 4.554 5.150 1.00 0.00 C ATOM 237 C LYS A 15 12.393 3.068 5.006 1.00 0.00 C ATOM 238 O LYS A 15 13.525 2.640 5.231 1.00 0.00 O ATOM 239 CB LYS A 15 11.452 4.824 6.522 1.00 0.00 C ATOM 240 CG LYS A 15 12.119 5.960 7.279 1.00 0.00 C ATOM 241 CD LYS A 15 11.284 6.401 8.471 1.00 0.00 C ATOM 242 CE LYS A 15 11.831 7.673 9.097 1.00 0.00 C ATOM 243 NZ LYS A 15 10.862 8.801 9.007 1.00 0.00 N ATOM 0 H LYS A 15 10.285 5.389 4.443 1.00 0.00 H new ATOM 0 HA LYS A 15 13.001 5.115 5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.394 5.055 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.510 3.916 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.104 5.642 7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.272 6.805 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.254 6.565 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.265 5.606 9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.074 7.487 10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.759 7.952 8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.275 9.649 9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.649 8.997 8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.985 8.546 9.504 1.00 0.00 H new ATOM 257 N ASN A 16 11.385 2.292 4.628 1.00 0.00 N ATOM 258 CA ASN A 16 11.530 0.845 4.466 1.00 0.00 C ATOM 259 C ASN A 16 12.063 0.467 3.083 1.00 0.00 C ATOM 260 O ASN A 16 12.515 -0.657 2.868 1.00 0.00 O ATOM 261 CB ASN A 16 10.183 0.161 4.690 1.00 0.00 C ATOM 262 CG ASN A 16 9.710 0.273 6.126 1.00 0.00 C ATOM 263 OD1 ASN A 16 9.921 1.290 6.783 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.068 -0.780 6.620 1.00 0.00 N ATOM 0 H ASN A 16 10.449 2.642 4.425 1.00 0.00 H new ATOM 0 HA ASN A 16 12.255 0.508 5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.439 0.605 4.029 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.263 -0.891 4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.728 -0.765 7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.915 -1.603 6.038 1.00 0.00 H new ATOM 271 N LYS A 17 11.977 1.401 2.146 1.00 0.00 N ATOM 272 CA LYS A 17 12.316 1.147 0.761 1.00 0.00 C ATOM 273 C LYS A 17 13.594 0.358 0.579 1.00 0.00 C ATOM 274 O LYS A 17 14.700 0.829 0.848 1.00 0.00 O ATOM 275 CB LYS A 17 12.449 2.455 -0.006 1.00 0.00 C ATOM 276 CG LYS A 17 11.142 2.968 -0.585 1.00 0.00 C ATOM 277 CD LYS A 17 11.357 4.053 -1.642 1.00 0.00 C ATOM 278 CE LYS A 17 12.458 5.038 -1.261 1.00 0.00 C ATOM 279 NZ LYS A 17 12.475 6.227 -2.157 1.00 0.00 N ATOM 0 H LYS A 17 11.669 2.356 2.329 1.00 0.00 H new ATOM 0 HA LYS A 17 11.496 0.544 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.862 3.214 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.164 2.318 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.593 2.137 -1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.523 3.366 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.609 3.583 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.425 4.597 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.314 5.362 -0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.425 4.536 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.237 6.871 -1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.638 5.921 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.562 6.721 -2.096 1.00 0.00 H new ATOM 293 N SER A 18 13.407 -0.812 0.008 1.00 0.00 N ATOM 294 CA SER A 18 14.492 -1.656 -0.446 1.00 0.00 C ATOM 295 C SER A 18 14.553 -1.513 -1.958 1.00 0.00 C ATOM 296 O SER A 18 15.596 -1.210 -2.539 1.00 0.00 O ATOM 297 CB SER A 18 14.253 -3.115 -0.056 1.00 0.00 C ATOM 298 OG SER A 18 15.478 -3.806 0.118 1.00 0.00 O ATOM 0 H SER A 18 12.483 -1.210 -0.157 1.00 0.00 H new ATOM 0 HA SER A 18 15.432 -1.355 0.017 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.674 -3.157 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.661 -3.608 -0.827 1.00 0.00 H new ATOM 0 HG SER A 18 15.296 -4.736 0.369 1.00 0.00 H new ATOM 304 N ASN A 19 13.375 -1.629 -2.562 1.00 0.00 N ATOM 305 CA ASN A 19 13.174 -1.386 -3.969 1.00 0.00 C ATOM 306 C ASN A 19 12.782 0.059 -4.144 1.00 0.00 C ATOM 307 O ASN A 19 11.625 0.396 -3.958 1.00 0.00 O ATOM 308 CB ASN A 19 12.012 -2.236 -4.443 1.00 0.00 C ATOM 309 CG ASN A 19 12.344 -3.714 -4.479 1.00 0.00 C ATOM 310 OD1 ASN A 19 12.849 -4.273 -3.505 1.00 0.00 O ATOM 311 ND2 ASN A 19 12.063 -4.358 -5.607 1.00 0.00 N ATOM 0 H ASN A 19 12.523 -1.900 -2.070 1.00 0.00 H new ATOM 0 HA ASN A 19 14.080 -1.620 -4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.158 -2.076 -3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.712 -1.911 -5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.266 -5.354 -5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.645 -3.856 -6.390 1.00 0.00 H new ATOM 318 N ASP A 20 13.712 0.929 -4.463 1.00 0.00 N ATOM 319 CA ASP A 20 13.368 2.334 -4.489 1.00 0.00 C ATOM 320 C ASP A 20 12.261 2.643 -5.493 1.00 0.00 C ATOM 321 O ASP A 20 11.171 3.058 -5.105 1.00 0.00 O ATOM 322 CB ASP A 20 14.599 3.185 -4.801 1.00 0.00 C ATOM 323 CG ASP A 20 15.630 3.144 -3.688 1.00 0.00 C ATOM 324 OD1 ASP A 20 15.395 3.780 -2.639 1.00 0.00 O ATOM 325 OD2 ASP A 20 16.670 2.476 -3.866 1.00 0.00 O ATOM 0 H ASP A 20 14.678 0.703 -4.700 1.00 0.00 H new ATOM 0 HA ASP A 20 12.994 2.583 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.054 2.834 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.291 4.217 -4.969 1.00 0.00 H new ATOM 330 N ALA A 21 12.519 2.399 -6.770 1.00 0.00 N ATOM 331 CA ALA A 21 11.550 2.728 -7.811 1.00 0.00 C ATOM 332 C ALA A 21 10.331 1.802 -7.833 1.00 0.00 C ATOM 333 O ALA A 21 9.224 2.247 -8.126 1.00 0.00 O ATOM 334 CB ALA A 21 12.208 2.763 -9.173 1.00 0.00 C ATOM 0 H ALA A 21 13.383 1.978 -7.111 1.00 0.00 H new ATOM 0 HA ALA A 21 11.178 3.722 -7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.464 3.010 -9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.995 3.517 -9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.640 1.787 -9.394 1.00 0.00 H new ATOM 340 N ALA A 22 10.534 0.508 -7.592 1.00 0.00 N ATOM 341 CA ALA A 22 9.432 -0.451 -7.691 1.00 0.00 C ATOM 342 C ALA A 22 8.255 -0.062 -6.816 1.00 0.00 C ATOM 343 O ALA A 22 7.182 0.242 -7.314 1.00 0.00 O ATOM 344 CB ALA A 22 9.904 -1.843 -7.317 1.00 0.00 C ATOM 0 H ALA A 22 11.433 0.103 -7.331 1.00 0.00 H new ATOM 0 HA ALA A 22 9.097 -0.443 -8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.072 -2.543 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.702 -2.150 -7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.277 -1.838 -6.293 1.00 0.00 H new ATOM 350 N VAL A 23 8.481 0.016 -5.523 1.00 0.00 N ATOM 351 CA VAL A 23 7.431 0.396 -4.600 1.00 0.00 C ATOM 352 C VAL A 23 7.047 1.849 -4.828 1.00 0.00 C ATOM 353 O VAL A 23 5.881 2.218 -4.746 1.00 0.00 O ATOM 354 CB VAL A 23 7.897 0.168 -3.161 1.00 0.00 C ATOM 355 CG1 VAL A 23 7.967 -1.326 -2.890 1.00 0.00 C ATOM 356 CG2 VAL A 23 9.260 0.798 -2.952 1.00 0.00 C ATOM 0 H VAL A 23 9.382 -0.178 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 23 6.550 -0.222 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 23 7.190 0.630 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.299 -1.495 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.980 -1.768 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.672 -1.788 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.584 0.631 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.978 0.347 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.199 1.869 -3.144 1.00 0.00 H new ATOM 366 N LEU A 24 8.037 2.645 -5.196 1.00 0.00 N ATOM 367 CA LEU A 24 7.834 4.044 -5.535 1.00 0.00 C ATOM 368 C LEU A 24 6.812 4.173 -6.661 1.00 0.00 C ATOM 369 O LEU A 24 5.823 4.897 -6.539 1.00 0.00 O ATOM 370 CB LEU A 24 9.184 4.608 -5.958 1.00 0.00 C ATOM 371 CG LEU A 24 9.217 5.949 -6.700 1.00 0.00 C ATOM 372 CD1 LEU A 24 9.446 5.728 -8.188 1.00 0.00 C ATOM 373 CD2 LEU A 24 7.967 6.768 -6.473 1.00 0.00 C ATOM 0 H LEU A 24 9.007 2.338 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 24 7.445 4.598 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.796 4.710 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.669 3.866 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 24 10.050 6.520 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.467 6.690 -8.700 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.397 5.217 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.639 5.118 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.043 7.707 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.098 6.212 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.857 6.977 -5.409 1.00 0.00 H new ATOM 385 N GLU A 25 7.062 3.467 -7.755 1.00 0.00 N ATOM 386 CA GLU A 25 6.171 3.490 -8.903 1.00 0.00 C ATOM 387 C GLU A 25 4.936 2.657 -8.631 1.00 0.00 C ATOM 388 O GLU A 25 3.815 3.059 -8.938 1.00 0.00 O ATOM 389 CB GLU A 25 6.895 2.957 -10.134 1.00 0.00 C ATOM 390 CG GLU A 25 7.487 4.052 -10.996 1.00 0.00 C ATOM 391 CD GLU A 25 7.077 3.941 -12.451 1.00 0.00 C ATOM 392 OE1 GLU A 25 7.489 2.962 -13.110 1.00 0.00 O ATOM 393 OE2 GLU A 25 6.348 4.833 -12.934 1.00 0.00 O ATOM 0 H GLU A 25 7.880 2.868 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 25 5.864 4.520 -9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.690 2.283 -9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.198 2.369 -10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.175 5.022 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.574 4.015 -10.926 1.00 0.00 H new ATOM 400 N ILE A 26 5.158 1.493 -8.043 1.00 0.00 N ATOM 401 CA ILE A 26 4.068 0.590 -7.708 1.00 0.00 C ATOM 402 C ILE A 26 3.017 1.324 -6.887 1.00 0.00 C ATOM 403 O ILE A 26 1.842 1.322 -7.246 1.00 0.00 O ATOM 404 CB ILE A 26 4.574 -0.675 -6.952 1.00 0.00 C ATOM 405 CG1 ILE A 26 5.263 -1.642 -7.925 1.00 0.00 C ATOM 406 CG2 ILE A 26 3.441 -1.404 -6.237 1.00 0.00 C ATOM 407 CD1 ILE A 26 5.896 -2.834 -7.238 1.00 0.00 C ATOM 0 H ILE A 26 6.084 1.150 -7.787 1.00 0.00 H new ATOM 0 HA ILE A 26 3.618 0.248 -8.640 1.00 0.00 H new ATOM 0 HB ILE A 26 5.288 -0.334 -6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.532 -1.996 -8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.030 -1.102 -8.481 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.839 -2.279 -5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.979 -0.735 -5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.694 -1.719 -6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.365 -3.477 -7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.650 -2.488 -6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.129 -3.396 -6.705 1.00 0.00 H new ATOM 419 N LEU A 27 3.441 1.979 -5.810 1.00 0.00 N ATOM 420 CA LEU A 27 2.496 2.671 -4.947 1.00 0.00 C ATOM 421 C LEU A 27 1.835 3.850 -5.653 1.00 0.00 C ATOM 422 O LEU A 27 0.637 4.085 -5.490 1.00 0.00 O ATOM 423 CB LEU A 27 3.149 3.148 -3.647 1.00 0.00 C ATOM 424 CG LEU A 27 2.479 2.625 -2.373 1.00 0.00 C ATOM 425 CD1 LEU A 27 2.953 3.397 -1.157 1.00 0.00 C ATOM 426 CD2 LEU A 27 0.966 2.707 -2.492 1.00 0.00 C ATOM 0 H LEU A 27 4.417 2.044 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 27 1.726 1.941 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.195 2.840 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.138 4.238 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 27 2.763 1.580 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.463 3.007 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.033 3.288 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.704 4.452 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.508 2.331 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.669 3.744 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.634 2.105 -3.338 1.00 0.00 H new ATOM 438 N HIS A 28 2.614 4.605 -6.421 1.00 0.00 N ATOM 439 CA HIS A 28 2.079 5.767 -7.119 1.00 0.00 C ATOM 440 C HIS A 28 0.853 5.385 -7.940 1.00 0.00 C ATOM 441 O HIS A 28 -0.225 5.952 -7.766 1.00 0.00 O ATOM 442 CB HIS A 28 3.147 6.374 -8.032 1.00 0.00 C ATOM 443 CG HIS A 28 2.865 7.791 -8.421 1.00 0.00 C ATOM 444 ND1 HIS A 28 1.827 8.152 -9.255 1.00 0.00 N ATOM 445 CD2 HIS A 28 3.491 8.945 -8.084 1.00 0.00 C ATOM 446 CE1 HIS A 28 1.828 9.463 -9.415 1.00 0.00 C ATOM 447 NE2 HIS A 28 2.827 9.967 -8.715 1.00 0.00 N ATOM 0 H HIS A 28 3.608 4.435 -6.575 1.00 0.00 H new ATOM 0 HA HIS A 28 1.783 6.506 -6.374 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.112 6.329 -7.528 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.230 5.768 -8.934 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.352 9.042 -7.439 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.130 10.027 -10.016 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.067 10.956 -8.653 1.00 0.00 H new ATOM 456 N VAL A 29 1.020 4.401 -8.815 1.00 0.00 N ATOM 457 CA VAL A 29 -0.078 3.922 -9.647 1.00 0.00 C ATOM 458 C VAL A 29 -1.099 3.165 -8.809 1.00 0.00 C ATOM 459 O VAL A 29 -2.299 3.217 -9.075 1.00 0.00 O ATOM 460 CB VAL A 29 0.427 3.007 -10.777 1.00 0.00 C ATOM 461 CG1 VAL A 29 1.172 1.809 -10.207 1.00 0.00 C ATOM 462 CG2 VAL A 29 -0.729 2.556 -11.658 1.00 0.00 C ATOM 0 H VAL A 29 1.906 3.919 -8.967 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.549 4.799 -10.091 1.00 0.00 H new ATOM 0 HB VAL A 29 1.123 3.576 -11.393 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.520 1.175 -11.023 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.027 2.155 -9.626 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.503 1.237 -9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.352 1.910 -12.451 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.453 2.007 -11.056 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.212 3.428 -12.099 1.00 0.00 H new ATOM 472 N LEU A 30 -0.614 2.480 -7.779 1.00 0.00 N ATOM 473 CA LEU A 30 -1.484 1.730 -6.879 1.00 0.00 C ATOM 474 C LEU A 30 -2.635 2.606 -6.408 1.00 0.00 C ATOM 475 O LEU A 30 -3.756 2.129 -6.238 1.00 0.00 O ATOM 476 CB LEU A 30 -0.685 1.228 -5.659 1.00 0.00 C ATOM 477 CG LEU A 30 -0.634 -0.295 -5.386 1.00 0.00 C ATOM 478 CD1 LEU A 30 -1.279 -1.117 -6.495 1.00 0.00 C ATOM 479 CD2 LEU A 30 0.808 -0.745 -5.166 1.00 0.00 C ATOM 0 H LEU A 30 0.378 2.428 -7.546 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.885 0.874 -7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.341 1.580 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.096 1.710 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.215 -0.473 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.213 -2.177 -6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.326 -0.833 -6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.760 -0.931 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.829 -1.818 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.398 -0.523 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.228 -0.216 -4.310 1.00 0.00 H new ATOM 491 N ASP A 31 -2.369 3.906 -6.307 1.00 0.00 N ATOM 492 CA ASP A 31 -3.361 4.865 -5.838 1.00 0.00 C ATOM 493 C ASP A 31 -4.681 4.678 -6.572 1.00 0.00 C ATOM 494 O ASP A 31 -5.749 4.973 -6.036 1.00 0.00 O ATOM 495 CB ASP A 31 -2.849 6.281 -6.066 1.00 0.00 C ATOM 496 CG ASP A 31 -3.209 7.221 -4.933 1.00 0.00 C ATOM 497 OD1 ASP A 31 -4.403 7.563 -4.801 1.00 0.00 O ATOM 498 OD2 ASP A 31 -2.296 7.618 -4.179 1.00 0.00 O ATOM 0 H ASP A 31 -1.468 4.320 -6.546 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.528 4.699 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.766 6.257 -6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.262 6.667 -6.998 1.00 0.00 H new ATOM 503 N LYS A 32 -4.603 4.146 -7.783 1.00 0.00 N ATOM 504 CA LYS A 32 -5.793 3.868 -8.568 1.00 0.00 C ATOM 505 C LYS A 32 -6.650 2.823 -7.855 1.00 0.00 C ATOM 506 O LYS A 32 -7.794 3.088 -7.486 1.00 0.00 O ATOM 507 CB LYS A 32 -5.381 3.382 -9.967 1.00 0.00 C ATOM 508 CG LYS A 32 -6.495 2.719 -10.769 1.00 0.00 C ATOM 509 CD LYS A 32 -5.956 1.590 -11.631 1.00 0.00 C ATOM 510 CE LYS A 32 -6.124 0.241 -10.950 1.00 0.00 C ATOM 511 NZ LYS A 32 -6.566 -0.814 -11.905 1.00 0.00 N ATOM 0 H LYS A 32 -3.726 3.899 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.385 4.777 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.001 4.232 -10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.558 2.675 -9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.254 2.331 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.983 3.461 -11.401 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.476 1.582 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.901 1.764 -11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.179 -0.055 -10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.853 0.330 -10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.458 -1.749 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.564 -0.661 -12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.985 -0.768 -12.766 1.00 0.00 H new ATOM 525 N GLU A 33 -6.080 1.639 -7.658 1.00 0.00 N ATOM 526 CA GLU A 33 -6.773 0.552 -6.972 1.00 0.00 C ATOM 527 C GLU A 33 -6.240 0.366 -5.554 1.00 0.00 C ATOM 528 O GLU A 33 -6.234 -0.746 -5.025 1.00 0.00 O ATOM 529 CB GLU A 33 -6.612 -0.745 -7.760 1.00 0.00 C ATOM 530 CG GLU A 33 -7.930 -1.368 -8.190 1.00 0.00 C ATOM 531 CD GLU A 33 -7.844 -2.033 -9.550 1.00 0.00 C ATOM 532 OE1 GLU A 33 -6.731 -2.445 -9.940 1.00 0.00 O ATOM 533 OE2 GLU A 33 -8.889 -2.142 -10.225 1.00 0.00 O ATOM 0 H GLU A 33 -5.136 1.406 -7.965 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.830 0.811 -6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.007 -0.549 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.062 -1.463 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.239 -2.105 -7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.701 -0.598 -8.214 1.00 0.00 H new ATOM 540 N PHE A 34 -5.797 1.456 -4.938 1.00 0.00 N ATOM 541 CA PHE A 34 -5.195 1.392 -3.614 1.00 0.00 C ATOM 542 C PHE A 34 -6.227 1.254 -2.493 1.00 0.00 C ATOM 543 O PHE A 34 -7.436 1.364 -2.697 1.00 0.00 O ATOM 544 CB PHE A 34 -4.289 2.598 -3.358 1.00 0.00 C ATOM 545 CG PHE A 34 -3.151 2.291 -2.415 1.00 0.00 C ATOM 546 CD1 PHE A 34 -2.466 1.083 -2.494 1.00 0.00 C ATOM 547 CD2 PHE A 34 -2.785 3.194 -1.431 1.00 0.00 C ATOM 548 CE1 PHE A 34 -1.443 0.792 -1.614 1.00 0.00 C ATOM 549 CE2 PHE A 34 -1.764 2.906 -0.546 1.00 0.00 C ATOM 550 CZ PHE A 34 -1.089 1.704 -0.641 1.00 0.00 C ATOM 0 H PHE A 34 -5.844 2.394 -5.335 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.589 0.486 -3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.883 2.948 -4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.885 3.412 -2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.738 0.364 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.305 4.137 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.920 -0.150 -1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.494 3.619 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.286 1.479 0.045 1.00 0.00 H new ATOM 560 N VAL A 35 -5.692 0.978 -1.312 1.00 0.00 N ATOM 561 CA VAL A 35 -6.450 0.679 -0.103 1.00 0.00 C ATOM 562 C VAL A 35 -7.049 1.892 0.661 1.00 0.00 C ATOM 563 O VAL A 35 -7.788 1.682 1.617 1.00 0.00 O ATOM 564 CB VAL A 35 -5.491 -0.056 0.860 1.00 0.00 C ATOM 565 CG1 VAL A 35 -4.304 0.831 1.198 1.00 0.00 C ATOM 566 CG2 VAL A 35 -6.182 -0.536 2.116 1.00 0.00 C ATOM 0 H VAL A 35 -4.683 0.955 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.312 0.097 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.134 -0.947 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.636 0.302 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.767 1.084 0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.657 1.745 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.461 -1.045 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.602 0.317 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.982 -1.227 1.850 1.00 0.00 H new ATOM 576 N PRO A 36 -6.797 3.169 0.295 1.00 0.00 N ATOM 577 CA PRO A 36 -7.342 4.296 1.059 1.00 0.00 C ATOM 578 C PRO A 36 -8.751 4.706 0.658 1.00 0.00 C ATOM 579 O PRO A 36 -8.935 5.627 -0.139 1.00 0.00 O ATOM 580 CB PRO A 36 -6.369 5.441 0.777 1.00 0.00 C ATOM 581 CG PRO A 36 -5.390 4.937 -0.233 1.00 0.00 C ATOM 582 CD PRO A 36 -5.924 3.646 -0.777 1.00 0.00 C ATOM 0 HA PRO A 36 -7.431 4.025 2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.900 6.315 0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.859 5.748 1.690 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.257 5.664 -1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.412 4.785 0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.473 3.797 -1.707 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.124 2.937 -0.991 1.00 0.00 H new ATOM 590 N THR A 37 -9.749 4.089 1.288 1.00 0.00 N ATOM 591 CA THR A 37 -11.135 4.495 1.082 1.00 0.00 C ATOM 592 C THR A 37 -11.751 4.848 2.430 1.00 0.00 C ATOM 593 O THR A 37 -11.056 4.850 3.446 1.00 0.00 O ATOM 594 CB THR A 37 -11.964 3.421 0.374 1.00 0.00 C ATOM 595 OG1 THR A 37 -12.639 2.601 1.313 1.00 0.00 O ATOM 596 CG2 THR A 37 -11.159 2.527 -0.547 1.00 0.00 C ATOM 0 H THR A 37 -9.625 3.314 1.939 1.00 0.00 H new ATOM 0 HA THR A 37 -11.140 5.366 0.426 1.00 0.00 H new ATOM 0 HB THR A 37 -12.673 3.976 -0.240 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.284 2.030 0.845 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.819 1.793 -1.010 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.689 3.132 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.389 2.011 0.028 1.00 0.00 H new ATOM 604 N GLU A 38 -13.046 5.136 2.456 1.00 0.00 N ATOM 605 CA GLU A 38 -13.701 5.463 3.716 1.00 0.00 C ATOM 606 C GLU A 38 -13.472 4.341 4.722 1.00 0.00 C ATOM 607 O GLU A 38 -12.863 4.547 5.772 1.00 0.00 O ATOM 608 CB GLU A 38 -15.200 5.678 3.499 1.00 0.00 C ATOM 609 CG GLU A 38 -15.518 6.724 2.444 1.00 0.00 C ATOM 610 CD GLU A 38 -15.944 8.048 3.045 1.00 0.00 C ATOM 611 OE1 GLU A 38 -15.733 8.243 4.260 1.00 0.00 O ATOM 612 OE2 GLU A 38 -16.489 8.891 2.301 1.00 0.00 O ATOM 0 H GLU A 38 -13.654 5.150 1.637 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.273 6.386 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.656 4.731 3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.656 5.976 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.641 6.880 1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.311 6.351 1.796 1.00 0.00 H new ATOM 619 N LYS A 39 -13.922 3.143 4.367 1.00 0.00 N ATOM 620 CA LYS A 39 -13.698 1.964 5.191 1.00 0.00 C ATOM 621 C LYS A 39 -12.299 1.400 4.961 1.00 0.00 C ATOM 622 O LYS A 39 -11.676 0.859 5.873 1.00 0.00 O ATOM 623 CB LYS A 39 -14.744 0.893 4.887 1.00 0.00 C ATOM 624 CG LYS A 39 -16.115 1.204 5.466 1.00 0.00 C ATOM 625 CD LYS A 39 -16.094 1.177 6.986 1.00 0.00 C ATOM 626 CE LYS A 39 -17.169 0.257 7.541 1.00 0.00 C ATOM 627 NZ LYS A 39 -18.306 1.021 8.125 1.00 0.00 N ATOM 0 H LYS A 39 -14.446 2.964 3.510 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.787 2.262 6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.832 0.778 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.400 -0.063 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.443 2.185 5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.840 0.479 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.115 0.845 7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.242 2.186 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.538 -0.392 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.735 -0.389 8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.018 0.358 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.959 1.621 8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.736 1.619 7.391 1.00 0.00 H new ATOM 641 N LEU A 40 -11.837 1.490 3.716 1.00 0.00 N ATOM 642 CA LEU A 40 -10.547 0.931 3.324 1.00 0.00 C ATOM 643 C LEU A 40 -9.373 1.689 3.938 1.00 0.00 C ATOM 644 O LEU A 40 -8.291 1.127 4.107 1.00 0.00 O ATOM 645 CB LEU A 40 -10.427 0.895 1.795 1.00 0.00 C ATOM 646 CG LEU A 40 -9.676 -0.305 1.243 1.00 0.00 C ATOM 647 CD1 LEU A 40 -10.298 -1.571 1.778 1.00 0.00 C ATOM 648 CD2 LEU A 40 -9.678 -0.292 -0.279 1.00 0.00 C ATOM 0 H LEU A 40 -12.341 1.948 2.957 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.504 -0.087 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.429 0.908 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.926 1.804 1.462 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.636 -0.258 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.762 -2.434 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.240 -1.573 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.343 -1.621 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.135 -1.161 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.705 -0.324 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.196 0.618 -0.636 1.00 0.00 H new ATOM 660 N LEU A 41 -9.574 2.963 4.264 1.00 0.00 N ATOM 661 CA LEU A 41 -8.508 3.764 4.863 1.00 0.00 C ATOM 662 C LEU A 41 -7.872 3.020 6.037 1.00 0.00 C ATOM 663 O LEU A 41 -6.656 2.842 6.081 1.00 0.00 O ATOM 664 CB LEU A 41 -9.053 5.119 5.315 1.00 0.00 C ATOM 665 CG LEU A 41 -8.173 5.895 6.301 1.00 0.00 C ATOM 666 CD1 LEU A 41 -8.421 5.409 7.719 1.00 0.00 C ATOM 667 CD2 LEU A 41 -6.699 5.762 5.938 1.00 0.00 C ATOM 0 H LEU A 41 -10.454 3.459 4.126 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.738 3.935 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.211 5.739 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.029 4.962 5.774 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.439 6.950 6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.790 5.968 8.411 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.468 5.563 7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.182 4.348 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.096 6.322 6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.411 4.711 5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.534 6.158 4.936 1.00 0.00 H new ATOM 679 N ARG A 42 -8.694 2.510 6.945 1.00 0.00 N ATOM 680 CA ARG A 42 -8.171 1.708 8.046 1.00 0.00 C ATOM 681 C ARG A 42 -7.408 0.518 7.471 1.00 0.00 C ATOM 682 O ARG A 42 -6.335 0.132 7.956 1.00 0.00 O ATOM 683 CB ARG A 42 -9.302 1.232 8.962 1.00 0.00 C ATOM 684 CG ARG A 42 -10.152 0.121 8.364 1.00 0.00 C ATOM 685 CD ARG A 42 -11.584 0.173 8.874 1.00 0.00 C ATOM 686 NE ARG A 42 -11.849 -0.866 9.864 1.00 0.00 N ATOM 687 CZ ARG A 42 -12.865 -0.828 10.718 1.00 0.00 C ATOM 688 NH1 ARG A 42 -13.710 0.195 10.703 1.00 0.00 N ATOM 689 NH2 ARG A 42 -13.037 -1.811 11.589 1.00 0.00 N ATOM 0 H ARG A 42 -9.707 2.633 6.944 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.497 2.318 8.648 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.873 0.883 9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.944 2.080 9.201 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.149 0.205 7.277 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.713 -0.846 8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.777 1.151 9.314 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.272 0.059 8.036 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.218 -1.667 9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.580 0.954 10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.490 0.222 11.360 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.389 -2.598 11.604 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.818 -1.781 12.245 1.00 0.00 H new ATOM 703 N GLU A 43 -7.943 -0.026 6.386 1.00 0.00 N ATOM 704 CA GLU A 43 -7.283 -1.103 5.691 1.00 0.00 C ATOM 705 C GLU A 43 -5.958 -0.601 5.145 1.00 0.00 C ATOM 706 O GLU A 43 -4.993 -1.346 5.052 1.00 0.00 O ATOM 707 CB GLU A 43 -8.159 -1.636 4.568 1.00 0.00 C ATOM 708 CG GLU A 43 -8.772 -2.990 4.873 1.00 0.00 C ATOM 709 CD GLU A 43 -8.322 -4.067 3.906 1.00 0.00 C ATOM 710 OE1 GLU A 43 -7.259 -4.677 4.147 1.00 0.00 O ATOM 711 OE2 GLU A 43 -9.032 -4.300 2.905 1.00 0.00 O ATOM 0 H GLU A 43 -8.830 0.266 5.975 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.101 -1.923 6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.957 -0.921 4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.564 -1.711 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.506 -3.285 5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.858 -2.908 4.840 1.00 0.00 H new ATOM 718 N THR A 44 -5.905 0.690 4.824 1.00 0.00 N ATOM 719 CA THR A 44 -4.657 1.296 4.392 1.00 0.00 C ATOM 720 C THR A 44 -3.668 1.239 5.534 1.00 0.00 C ATOM 721 O THR A 44 -2.464 1.163 5.321 1.00 0.00 O ATOM 722 CB THR A 44 -4.850 2.738 3.915 1.00 0.00 C ATOM 723 OG1 THR A 44 -5.942 2.822 3.027 1.00 0.00 O ATOM 724 CG2 THR A 44 -3.632 3.307 3.208 1.00 0.00 C ATOM 0 H THR A 44 -6.702 1.326 4.855 1.00 0.00 H new ATOM 0 HA THR A 44 -4.276 0.735 3.539 1.00 0.00 H new ATOM 0 HB THR A 44 -5.027 3.323 4.818 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.701 2.322 3.394 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.837 4.331 2.897 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.780 3.298 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.403 2.700 2.332 1.00 0.00 H new ATOM 732 N LYS A 45 -4.188 1.203 6.756 1.00 0.00 N ATOM 733 CA LYS A 45 -3.340 1.021 7.914 1.00 0.00 C ATOM 734 C LYS A 45 -2.617 -0.309 7.770 1.00 0.00 C ATOM 735 O LYS A 45 -1.391 -0.389 7.902 1.00 0.00 O ATOM 736 CB LYS A 45 -4.165 1.045 9.202 1.00 0.00 C ATOM 737 CG LYS A 45 -3.419 1.628 10.390 1.00 0.00 C ATOM 738 CD LYS A 45 -4.374 2.078 11.482 1.00 0.00 C ATOM 739 CE LYS A 45 -4.909 0.898 12.277 1.00 0.00 C ATOM 740 NZ LYS A 45 -6.028 0.215 11.573 1.00 0.00 N ATOM 0 H LYS A 45 -5.182 1.297 6.963 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.618 1.835 7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.072 1.626 9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.478 0.029 9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.732 0.883 10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.815 2.474 10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.862 2.768 12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.205 2.625 11.037 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.104 0.185 12.455 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.251 1.243 13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.767 -0.039 12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.427 0.853 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.673 -0.647 11.112 1.00 0.00 H new ATOM 754 N VAL A 46 -3.373 -1.345 7.396 1.00 0.00 N ATOM 755 CA VAL A 46 -2.768 -2.652 7.163 1.00 0.00 C ATOM 756 C VAL A 46 -2.040 -2.669 5.820 1.00 0.00 C ATOM 757 O VAL A 46 -0.981 -3.282 5.688 1.00 0.00 O ATOM 758 CB VAL A 46 -3.788 -3.810 7.231 1.00 0.00 C ATOM 759 CG1 VAL A 46 -4.542 -3.777 8.552 1.00 0.00 C ATOM 760 CG2 VAL A 46 -4.757 -3.778 6.060 1.00 0.00 C ATOM 0 H VAL A 46 -4.382 -1.304 7.252 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.053 -2.813 7.970 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.231 -4.745 7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.257 -4.599 8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.836 -3.878 9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.074 -2.830 8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.458 -4.609 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.307 -2.837 6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.202 -3.866 5.126 1.00 0.00 H new ATOM 770 N GLY A 47 -2.586 -1.943 4.842 1.00 0.00 N ATOM 771 CA GLY A 47 -1.952 -1.836 3.538 1.00 0.00 C ATOM 772 C GLY A 47 -0.602 -1.161 3.638 1.00 0.00 C ATOM 773 O GLY A 47 0.349 -1.544 2.957 1.00 0.00 O ATOM 0 H GLY A 47 -3.460 -1.426 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.833 -2.830 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.595 -1.270 2.864 1.00 0.00 H new ATOM 777 N VAL A 48 -0.519 -0.163 4.512 1.00 0.00 N ATOM 778 CA VAL A 48 0.723 0.556 4.742 1.00 0.00 C ATOM 779 C VAL A 48 1.765 -0.384 5.331 1.00 0.00 C ATOM 780 O VAL A 48 2.930 -0.330 4.964 1.00 0.00 O ATOM 781 CB VAL A 48 0.520 1.766 5.681 1.00 0.00 C ATOM 782 CG1 VAL A 48 1.857 2.389 6.058 1.00 0.00 C ATOM 783 CG2 VAL A 48 -0.385 2.801 5.028 1.00 0.00 C ATOM 0 H VAL A 48 -1.304 0.166 5.074 1.00 0.00 H new ATOM 0 HA VAL A 48 1.069 0.934 3.780 1.00 0.00 H new ATOM 0 HB VAL A 48 0.040 1.412 6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.689 3.239 6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.473 1.648 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.368 2.727 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.517 3.646 5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.068 3.146 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.355 2.353 4.814 1.00 0.00 H new ATOM 793 N GLU A 49 1.347 -1.248 6.246 1.00 0.00 N ATOM 794 CA GLU A 49 2.274 -2.212 6.823 1.00 0.00 C ATOM 795 C GLU A 49 2.849 -3.093 5.718 1.00 0.00 C ATOM 796 O GLU A 49 4.026 -3.457 5.741 1.00 0.00 O ATOM 797 CB GLU A 49 1.572 -3.058 7.883 1.00 0.00 C ATOM 798 CG GLU A 49 2.382 -3.231 9.158 1.00 0.00 C ATOM 799 CD GLU A 49 1.511 -3.305 10.397 1.00 0.00 C ATOM 800 OE1 GLU A 49 0.348 -2.856 10.332 1.00 0.00 O ATOM 801 OE2 GLU A 49 1.993 -3.812 11.432 1.00 0.00 O ATOM 0 H GLU A 49 0.392 -1.302 6.599 1.00 0.00 H new ATOM 0 HA GLU A 49 3.092 -1.678 7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.616 -2.596 8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.353 -4.041 7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.980 -4.140 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.079 -2.398 9.257 1.00 0.00 H new ATOM 808 N VAL A 50 2.021 -3.392 4.725 1.00 0.00 N ATOM 809 CA VAL A 50 2.486 -4.122 3.549 1.00 0.00 C ATOM 810 C VAL A 50 3.364 -3.172 2.735 1.00 0.00 C ATOM 811 O VAL A 50 4.481 -3.507 2.351 1.00 0.00 O ATOM 812 CB VAL A 50 1.317 -4.680 2.681 1.00 0.00 C ATOM 813 CG1 VAL A 50 1.666 -6.050 2.125 1.00 0.00 C ATOM 814 CG2 VAL A 50 0.020 -4.767 3.471 1.00 0.00 C ATOM 0 H VAL A 50 1.032 -3.143 4.708 1.00 0.00 H new ATOM 0 HA VAL A 50 3.051 -4.996 3.874 1.00 0.00 H new ATOM 0 HB VAL A 50 1.170 -3.982 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.836 -6.420 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.559 -5.974 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.853 -6.740 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.770 -5.160 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.158 -5.429 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.259 -3.774 3.823 1.00 0.00 H new ATOM 824 N ASN A 51 2.905 -1.929 2.616 1.00 0.00 N ATOM 825 CA ASN A 51 3.688 -0.867 1.989 1.00 0.00 C ATOM 826 C ASN A 51 5.046 -0.768 2.663 1.00 0.00 C ATOM 827 O ASN A 51 6.043 -0.413 2.039 1.00 0.00 O ATOM 828 CB ASN A 51 2.946 0.465 2.119 1.00 0.00 C ATOM 829 CG ASN A 51 3.526 1.553 1.254 1.00 0.00 C ATOM 830 OD1 ASN A 51 4.122 1.281 0.216 1.00 0.00 O ATOM 831 ND2 ASN A 51 3.336 2.796 1.680 1.00 0.00 N ATOM 0 H ASN A 51 1.988 -1.631 2.948 1.00 0.00 H new ATOM 0 HA ASN A 51 3.828 -1.097 0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.899 0.318 1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.969 0.786 3.160 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.693 3.582 1.136 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.833 2.965 2.551 1.00 0.00 H new ATOM 838 N LYS A 52 5.060 -1.051 3.959 1.00 0.00 N ATOM 839 CA LYS A 52 6.280 -1.011 4.739 1.00 0.00 C ATOM 840 C LYS A 52 7.218 -2.123 4.301 1.00 0.00 C ATOM 841 O LYS A 52 8.433 -1.953 4.274 1.00 0.00 O ATOM 842 CB LYS A 52 5.965 -1.161 6.228 1.00 0.00 C ATOM 843 CG LYS A 52 5.960 0.157 6.984 1.00 0.00 C ATOM 844 CD LYS A 52 4.685 0.330 7.795 1.00 0.00 C ATOM 845 CE LYS A 52 4.714 1.609 8.615 1.00 0.00 C ATOM 846 NZ LYS A 52 5.021 1.345 10.047 1.00 0.00 N ATOM 0 H LYS A 52 4.230 -1.312 4.492 1.00 0.00 H new ATOM 0 HA LYS A 52 6.764 -0.048 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.991 -1.638 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.699 -1.827 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.823 0.200 7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.059 0.982 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.826 0.346 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.556 -0.525 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.461 2.287 8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.750 2.112 8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.031 2.243 10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.294 0.718 10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.952 0.889 10.124 1.00 0.00 H new ATOM 860 N PHE A 53 6.632 -3.270 3.961 1.00 0.00 N ATOM 861 CA PHE A 53 7.388 -4.466 3.586 1.00 0.00 C ATOM 862 C PHE A 53 8.672 -4.594 4.407 1.00 0.00 C ATOM 863 O PHE A 53 9.775 -4.590 3.867 1.00 0.00 O ATOM 864 CB PHE A 53 7.701 -4.513 2.084 1.00 0.00 C ATOM 865 CG PHE A 53 8.275 -3.251 1.502 1.00 0.00 C ATOM 866 CD1 PHE A 53 9.644 -3.026 1.509 1.00 0.00 C ATOM 867 CD2 PHE A 53 7.454 -2.336 0.864 1.00 0.00 C ATOM 868 CE1 PHE A 53 10.174 -1.887 0.941 1.00 0.00 C ATOM 869 CE2 PHE A 53 7.977 -1.190 0.302 1.00 0.00 C ATOM 870 CZ PHE A 53 9.346 -0.972 0.337 1.00 0.00 C ATOM 0 H PHE A 53 5.620 -3.397 3.937 1.00 0.00 H new ATOM 0 HA PHE A 53 6.748 -5.319 3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.402 -5.328 1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.784 -4.756 1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.302 -3.751 1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.392 -2.522 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 53 11.240 -1.714 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.324 -0.466 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.762 -0.082 -0.111 1.00 0.00 H new ATOM 880 N LYS A 54 8.510 -4.693 5.720 1.00 0.00 N ATOM 881 CA LYS A 54 9.638 -4.780 6.632 1.00 0.00 C ATOM 882 C LYS A 54 10.503 -6.021 6.346 1.00 0.00 C ATOM 883 O LYS A 54 10.696 -6.390 5.187 1.00 0.00 O ATOM 884 CB LYS A 54 9.121 -4.768 8.069 1.00 0.00 C ATOM 885 CG LYS A 54 10.110 -4.177 9.062 1.00 0.00 C ATOM 886 CD LYS A 54 9.984 -2.665 9.144 1.00 0.00 C ATOM 887 CE LYS A 54 8.596 -2.243 9.595 1.00 0.00 C ATOM 888 NZ LYS A 54 8.118 -3.049 10.753 1.00 0.00 N ATOM 0 H LYS A 54 7.599 -4.715 6.178 1.00 0.00 H new ATOM 0 HA LYS A 54 10.285 -3.916 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.193 -4.198 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.881 -5.788 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.940 -4.611 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.125 -4.443 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.727 -2.275 9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.199 -2.228 8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.608 -1.188 9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.897 -2.350 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.299 -2.579 11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.839 -3.996 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.881 -3.136 11.454 1.00 0.00 H new ATOM 902 N LYS A 55 11.057 -6.642 7.393 1.00 0.00 N ATOM 903 CA LYS A 55 11.944 -7.789 7.222 1.00 0.00 C ATOM 904 C LYS A 55 11.217 -8.994 6.629 1.00 0.00 C ATOM 905 O LYS A 55 11.395 -9.318 5.455 1.00 0.00 O ATOM 906 CB LYS A 55 12.584 -8.160 8.561 1.00 0.00 C ATOM 907 CG LYS A 55 13.254 -6.983 9.252 1.00 0.00 C ATOM 908 CD LYS A 55 14.512 -6.548 8.517 1.00 0.00 C ATOM 909 CE LYS A 55 14.305 -5.228 7.793 1.00 0.00 C ATOM 910 NZ LYS A 55 14.671 -4.062 8.645 1.00 0.00 N ATOM 0 H LYS A 55 10.905 -6.368 8.364 1.00 0.00 H new ATOM 0 HA LYS A 55 12.722 -7.501 6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.820 -8.572 9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.322 -8.945 8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.556 -6.147 9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.506 -7.257 10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.334 -6.450 9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.800 -7.317 7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.905 -5.215 6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.262 -5.141 7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.515 -3.181 8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.081 -4.059 9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.673 -4.131 8.915 1.00 0.00 H new ATOM 924 N SER A 56 10.418 -9.671 7.448 1.00 0.00 N ATOM 925 CA SER A 56 9.682 -10.846 6.996 1.00 0.00 C ATOM 926 C SER A 56 8.754 -10.489 5.847 1.00 0.00 C ATOM 927 O SER A 56 8.407 -11.341 5.028 1.00 0.00 O ATOM 928 CB SER A 56 8.867 -11.441 8.140 1.00 0.00 C ATOM 929 OG SER A 56 9.679 -12.225 8.998 1.00 0.00 O ATOM 0 H SER A 56 10.264 -9.426 8.426 1.00 0.00 H new ATOM 0 HA SER A 56 10.407 -11.583 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.399 -10.639 8.711 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.063 -12.055 7.735 1.00 0.00 H new ATOM 0 HG SER A 56 9.130 -12.592 9.722 1.00 0.00 H new ATOM 935 N THR A 57 8.327 -9.236 5.812 1.00 0.00 N ATOM 936 CA THR A 57 7.475 -8.762 4.743 1.00 0.00 C ATOM 937 C THR A 57 8.347 -8.207 3.632 1.00 0.00 C ATOM 938 O THR A 57 8.353 -7.011 3.351 1.00 0.00 O ATOM 939 CB THR A 57 6.511 -7.697 5.272 1.00 0.00 C ATOM 940 OG1 THR A 57 7.017 -7.107 6.457 1.00 0.00 O ATOM 941 CG2 THR A 57 5.134 -8.238 5.579 1.00 0.00 C ATOM 0 H THR A 57 8.559 -8.533 6.513 1.00 0.00 H new ATOM 0 HA THR A 57 6.877 -9.584 4.349 1.00 0.00 H new ATOM 0 HB THR A 57 6.424 -6.962 4.472 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.388 -6.428 6.779 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.501 -7.432 5.950 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.697 -8.655 4.672 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.210 -9.018 6.337 1.00 0.00 H new ATOM 949 N ASN A 58 9.093 -9.109 3.013 1.00 0.00 N ATOM 950 CA ASN A 58 10.032 -8.759 1.966 1.00 0.00 C ATOM 951 C ASN A 58 9.344 -8.100 0.781 1.00 0.00 C ATOM 952 O ASN A 58 8.135 -8.213 0.610 1.00 0.00 O ATOM 953 CB ASN A 58 10.789 -9.994 1.499 1.00 0.00 C ATOM 954 CG ASN A 58 12.175 -10.092 2.108 1.00 0.00 C ATOM 955 OD1 ASN A 58 13.139 -9.539 1.580 1.00 0.00 O ATOM 956 ND2 ASN A 58 12.279 -10.800 3.227 1.00 0.00 N ATOM 0 H ASN A 58 9.062 -10.106 3.225 1.00 0.00 H new ATOM 0 HA ASN A 58 10.733 -8.039 2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.218 -10.886 1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.874 -9.975 0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.185 -10.902 3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.452 -11.242 3.630 1.00 0.00 H new ATOM 963 N VAL A 59 10.132 -7.389 -0.019 1.00 0.00 N ATOM 964 CA VAL A 59 9.629 -6.671 -1.184 1.00 0.00 C ATOM 965 C VAL A 59 8.550 -7.443 -1.934 1.00 0.00 C ATOM 966 O VAL A 59 7.658 -6.839 -2.531 1.00 0.00 O ATOM 967 CB VAL A 59 10.772 -6.333 -2.156 1.00 0.00 C ATOM 968 CG1 VAL A 59 11.314 -7.591 -2.820 1.00 0.00 C ATOM 969 CG2 VAL A 59 10.297 -5.332 -3.198 1.00 0.00 C ATOM 0 H VAL A 59 11.138 -7.295 0.122 1.00 0.00 H new ATOM 0 HA VAL A 59 9.181 -5.754 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 59 11.585 -5.882 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.121 -7.324 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.694 -8.270 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.516 -8.081 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 59 11.115 -5.101 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.466 -5.758 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.969 -4.418 -2.702 1.00 0.00 H new ATOM 979 N GLU A 60 8.598 -8.773 -1.881 1.00 0.00 N ATOM 980 CA GLU A 60 7.563 -9.584 -2.527 1.00 0.00 C ATOM 981 C GLU A 60 6.191 -9.075 -2.098 1.00 0.00 C ATOM 982 O GLU A 60 5.218 -9.135 -2.851 1.00 0.00 O ATOM 983 CB GLU A 60 7.706 -11.064 -2.164 1.00 0.00 C ATOM 984 CG GLU A 60 8.242 -11.307 -0.774 1.00 0.00 C ATOM 985 CD GLU A 60 9.710 -11.681 -0.775 1.00 0.00 C ATOM 986 OE1 GLU A 60 10.422 -11.288 -1.722 1.00 0.00 O ATOM 987 OE2 GLU A 60 10.148 -12.369 0.172 1.00 0.00 O ATOM 0 H GLU A 60 9.327 -9.306 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 60 7.675 -9.494 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.733 -11.546 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.368 -11.542 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.099 -10.410 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.668 -12.104 -0.301 1.00 0.00 H new ATOM 994 N ILE A 61 6.164 -8.497 -0.903 1.00 0.00 N ATOM 995 CA ILE A 61 4.979 -7.885 -0.351 1.00 0.00 C ATOM 996 C ILE A 61 4.366 -6.908 -1.359 1.00 0.00 C ATOM 997 O ILE A 61 3.151 -6.761 -1.423 1.00 0.00 O ATOM 998 CB ILE A 61 5.352 -7.171 0.985 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.119 -8.089 2.188 1.00 0.00 C ATOM 1000 CG2 ILE A 61 4.591 -5.871 1.195 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.353 -9.565 1.929 1.00 0.00 C ATOM 0 H ILE A 61 6.977 -8.444 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 61 4.229 -8.648 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 61 6.412 -6.930 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.773 -7.771 3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.094 -7.955 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.893 -5.421 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.813 -5.184 0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.521 -6.075 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.162 -10.129 2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.680 -9.908 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.386 -9.720 1.616 1.00 0.00 H new ATOM 1013 N SER A 62 5.213 -6.229 -2.129 1.00 0.00 N ATOM 1014 CA SER A 62 4.724 -5.250 -3.099 1.00 0.00 C ATOM 1015 C SER A 62 3.636 -5.858 -3.970 1.00 0.00 C ATOM 1016 O SER A 62 2.518 -5.345 -4.038 1.00 0.00 O ATOM 1017 CB SER A 62 5.873 -4.741 -3.972 1.00 0.00 C ATOM 1018 OG SER A 62 5.660 -3.396 -4.364 1.00 0.00 O ATOM 0 H SER A 62 6.227 -6.335 -2.102 1.00 0.00 H new ATOM 0 HA SER A 62 4.301 -4.408 -2.550 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.812 -4.819 -3.424 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.967 -5.370 -4.857 1.00 0.00 H new ATOM 0 HG SER A 62 5.001 -2.982 -3.769 1.00 0.00 H new ATOM 1024 N LYS A 63 3.931 -7.000 -4.564 1.00 0.00 N ATOM 1025 CA LYS A 63 2.943 -7.709 -5.341 1.00 0.00 C ATOM 1026 C LYS A 63 1.854 -8.232 -4.417 1.00 0.00 C ATOM 1027 O LYS A 63 0.693 -8.353 -4.807 1.00 0.00 O ATOM 1028 CB LYS A 63 3.610 -8.847 -6.089 1.00 0.00 C ATOM 1029 CG LYS A 63 3.225 -8.908 -7.550 1.00 0.00 C ATOM 1030 CD LYS A 63 4.177 -9.798 -8.323 1.00 0.00 C ATOM 1031 CE LYS A 63 3.512 -10.399 -9.551 1.00 0.00 C ATOM 1032 NZ LYS A 63 3.329 -9.393 -10.634 1.00 0.00 N ATOM 0 H LYS A 63 4.845 -7.451 -4.521 1.00 0.00 H new ATOM 0 HA LYS A 63 2.488 -7.037 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.692 -8.740 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.347 -9.791 -5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.207 -9.287 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.233 -7.904 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.049 -9.220 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.535 -10.598 -7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.117 -11.226 -9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.543 -10.813 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.873 -9.843 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.731 -8.616 -10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.256 -9.016 -10.918 1.00 0.00 H new ATOM 1046 N LEU A 64 2.243 -8.522 -3.178 1.00 0.00 N ATOM 1047 CA LEU A 64 1.305 -8.988 -2.173 1.00 0.00 C ATOM 1048 C LEU A 64 0.249 -7.926 -1.899 1.00 0.00 C ATOM 1049 O LEU A 64 -0.942 -8.229 -1.819 1.00 0.00 O ATOM 1050 CB LEU A 64 2.047 -9.331 -0.882 1.00 0.00 C ATOM 1051 CG LEU A 64 1.312 -10.300 0.042 1.00 0.00 C ATOM 1052 CD1 LEU A 64 2.237 -11.421 0.486 1.00 0.00 C ATOM 1053 CD2 LEU A 64 0.750 -9.558 1.243 1.00 0.00 C ATOM 0 H LEU A 64 3.205 -8.441 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 64 0.811 -9.884 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.015 -9.760 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.243 -8.408 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 64 0.482 -10.744 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.695 -12.101 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.592 -11.967 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.088 -11.000 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.229 -10.260 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.565 -9.089 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.053 -8.792 0.904 1.00 0.00 H new ATOM 1065 N VAL A 65 0.686 -6.675 -1.761 1.00 0.00 N ATOM 1066 CA VAL A 65 -0.244 -5.580 -1.543 1.00 0.00 C ATOM 1067 C VAL A 65 -1.203 -5.508 -2.718 1.00 0.00 C ATOM 1068 O VAL A 65 -2.393 -5.240 -2.550 1.00 0.00 O ATOM 1069 CB VAL A 65 0.453 -4.221 -1.311 1.00 0.00 C ATOM 1070 CG1 VAL A 65 1.067 -3.650 -2.583 1.00 0.00 C ATOM 1071 CG2 VAL A 65 -0.528 -3.231 -0.714 1.00 0.00 C ATOM 0 H VAL A 65 1.668 -6.401 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.791 -5.786 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 65 1.273 -4.396 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.543 -2.695 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.812 -4.345 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.286 -3.501 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.029 -2.276 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.366 -3.092 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.896 -3.613 0.239 1.00 0.00 H new ATOM 1081 N LYS A 66 -0.691 -5.838 -3.903 1.00 0.00 N ATOM 1082 CA LYS A 66 -1.523 -5.890 -5.093 1.00 0.00 C ATOM 1083 C LYS A 66 -2.586 -6.969 -4.911 1.00 0.00 C ATOM 1084 O LYS A 66 -3.772 -6.754 -5.170 1.00 0.00 O ATOM 1085 CB LYS A 66 -0.676 -6.170 -6.332 1.00 0.00 C ATOM 1086 CG LYS A 66 -1.397 -5.887 -7.636 1.00 0.00 C ATOM 1087 CD LYS A 66 -0.470 -5.212 -8.626 1.00 0.00 C ATOM 1088 CE LYS A 66 0.671 -6.131 -9.022 1.00 0.00 C ATOM 1089 NZ LYS A 66 1.772 -5.394 -9.703 1.00 0.00 N ATOM 0 H LYS A 66 0.290 -6.071 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.009 -4.925 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.229 -5.564 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.362 -7.214 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.773 -6.819 -8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.262 -5.251 -7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.031 -4.921 -9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.069 -4.298 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.062 -6.627 -8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.295 -6.912 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.530 -6.059 -9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.406 -4.942 -10.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.150 -4.666 -9.064 1.00 0.00 H new ATOM 1103 N LYS A 67 -2.161 -8.122 -4.405 1.00 0.00 N ATOM 1104 CA LYS A 67 -3.094 -9.191 -4.087 1.00 0.00 C ATOM 1105 C LYS A 67 -4.012 -8.716 -2.971 1.00 0.00 C ATOM 1106 O LYS A 67 -5.209 -9.022 -2.945 1.00 0.00 O ATOM 1107 CB LYS A 67 -2.342 -10.455 -3.663 1.00 0.00 C ATOM 1108 CG LYS A 67 -3.255 -11.578 -3.198 1.00 0.00 C ATOM 1109 CD LYS A 67 -4.273 -11.945 -4.266 1.00 0.00 C ATOM 1110 CE LYS A 67 -4.179 -13.415 -4.646 1.00 0.00 C ATOM 1111 NZ LYS A 67 -3.160 -13.651 -5.706 1.00 0.00 N ATOM 0 H LYS A 67 -1.184 -8.337 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.684 -9.438 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.742 -10.809 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.650 -10.204 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.657 -12.454 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.773 -11.274 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.277 -11.726 -3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.112 -11.329 -5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.927 -14.003 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.152 -13.763 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.127 -14.665 -5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.413 -13.110 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.227 -13.343 -5.365 1.00 0.00 H new ATOM 1125 N MET A 68 -3.441 -7.909 -2.082 1.00 0.00 N ATOM 1126 CA MET A 68 -4.194 -7.309 -0.995 1.00 0.00 C ATOM 1127 C MET A 68 -5.295 -6.427 -1.564 1.00 0.00 C ATOM 1128 O MET A 68 -6.366 -6.306 -0.978 1.00 0.00 O ATOM 1129 CB MET A 68 -3.263 -6.487 -0.099 1.00 0.00 C ATOM 1130 CG MET A 68 -3.648 -6.490 1.370 1.00 0.00 C ATOM 1131 SD MET A 68 -3.246 -8.045 2.189 1.00 0.00 S ATOM 1132 CE MET A 68 -2.450 -7.447 3.677 1.00 0.00 C ATOM 0 H MET A 68 -2.453 -7.657 -2.097 1.00 0.00 H new ATOM 0 HA MET A 68 -4.645 -8.097 -0.393 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.248 -6.873 -0.198 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.249 -5.458 -0.457 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.135 -5.673 1.878 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.718 -6.301 1.462 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.632 -8.147 4.493 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.377 -7.360 3.506 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.856 -6.470 3.939 1.00 0.00 H new ATOM 1142 N ILE A 69 -5.029 -5.821 -2.725 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.025 -4.989 -3.388 1.00 0.00 C ATOM 1144 C ILE A 69 -7.230 -5.834 -3.768 1.00 0.00 C ATOM 1145 O ILE A 69 -8.376 -5.443 -3.538 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.464 -4.279 -4.640 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -4.423 -3.253 -4.215 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -6.572 -3.599 -5.438 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -3.461 -2.874 -5.317 1.00 0.00 C ATOM 0 H ILE A 69 -4.139 -5.893 -3.218 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.321 -4.212 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.003 -5.029 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.932 -2.355 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.858 -3.649 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.143 -3.109 -6.312 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.299 -4.345 -5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.068 -2.856 -4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.749 -2.140 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.924 -3.761 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.015 -2.447 -6.153 1.00 0.00 H new ATOM 1161 N SER A 70 -6.964 -7.012 -4.317 1.00 0.00 N ATOM 1162 CA SER A 70 -8.035 -7.921 -4.703 1.00 0.00 C ATOM 1163 C SER A 70 -8.992 -8.133 -3.534 1.00 0.00 C ATOM 1164 O SER A 70 -10.205 -7.974 -3.672 1.00 0.00 O ATOM 1165 CB SER A 70 -7.458 -9.262 -5.160 1.00 0.00 C ATOM 1166 OG SER A 70 -6.442 -9.077 -6.131 1.00 0.00 O ATOM 0 H SER A 70 -6.023 -7.359 -4.504 1.00 0.00 H new ATOM 0 HA SER A 70 -8.585 -7.477 -5.533 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.052 -9.798 -4.302 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.253 -9.881 -5.575 1.00 0.00 H new ATOM 0 HG SER A 70 -6.089 -9.949 -6.405 1.00 0.00 H new ATOM 1172 N SER A 71 -8.433 -8.473 -2.376 1.00 0.00 N ATOM 1173 CA SER A 71 -9.233 -8.676 -1.172 1.00 0.00 C ATOM 1174 C SER A 71 -9.637 -7.344 -0.540 1.00 0.00 C ATOM 1175 O SER A 71 -10.621 -7.272 0.195 1.00 0.00 O ATOM 1176 CB SER A 71 -8.460 -9.520 -0.157 1.00 0.00 C ATOM 1177 OG SER A 71 -9.302 -9.940 0.903 1.00 0.00 O ATOM 0 H SER A 71 -7.431 -8.614 -2.246 1.00 0.00 H new ATOM 0 HA SER A 71 -10.141 -9.204 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.033 -10.391 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.627 -8.941 0.243 1.00 0.00 H new ATOM 0 HG SER A 71 -8.785 -10.479 1.538 1.00 0.00 H new ATOM 1183 N TRP A 72 -8.864 -6.295 -0.814 1.00 0.00 N ATOM 1184 CA TRP A 72 -9.139 -4.978 -0.243 1.00 0.00 C ATOM 1185 C TRP A 72 -10.566 -4.546 -0.542 1.00 0.00 C ATOM 1186 O TRP A 72 -11.324 -4.201 0.364 1.00 0.00 O ATOM 1187 CB TRP A 72 -8.164 -3.934 -0.792 1.00 0.00 C ATOM 1188 CG TRP A 72 -6.876 -3.858 -0.040 1.00 0.00 C ATOM 1189 CD1 TRP A 72 -6.593 -4.444 1.156 1.00 0.00 C ATOM 1190 CD2 TRP A 72 -5.701 -3.138 -0.424 1.00 0.00 C ATOM 1191 NE1 TRP A 72 -5.310 -4.133 1.543 1.00 0.00 N ATOM 1192 CE2 TRP A 72 -4.743 -3.333 0.587 1.00 0.00 C ATOM 1193 CE3 TRP A 72 -5.368 -2.346 -1.526 1.00 0.00 C ATOM 1194 CZ2 TRP A 72 -3.471 -2.769 0.527 1.00 0.00 C ATOM 1195 CZ3 TRP A 72 -4.102 -1.793 -1.589 1.00 0.00 C ATOM 1196 CH2 TRP A 72 -3.171 -2.002 -0.563 1.00 0.00 C ATOM 0 H TRP A 72 -8.047 -6.330 -1.424 1.00 0.00 H new ATOM 0 HA TRP A 72 -9.010 -5.052 0.837 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -7.951 -4.163 -1.836 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.644 -2.956 -0.771 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -7.276 -5.063 1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.856 -4.447 2.401 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -6.086 -2.169 -2.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.749 -2.932 1.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.827 -1.191 -2.442 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.194 -1.547 -0.635 1.00 0.00 H new ATOM 1207 N LYS A 73 -10.932 -4.583 -1.816 1.00 0.00 N ATOM 1208 CA LYS A 73 -12.279 -4.221 -2.227 1.00 0.00 C ATOM 1209 C LYS A 73 -13.263 -5.277 -1.751 1.00 0.00 C ATOM 1210 O LYS A 73 -14.409 -4.974 -1.422 1.00 0.00 O ATOM 1211 CB LYS A 73 -12.351 -4.065 -3.745 1.00 0.00 C ATOM 1212 CG LYS A 73 -11.703 -2.785 -4.249 1.00 0.00 C ATOM 1213 CD LYS A 73 -12.680 -1.945 -5.056 1.00 0.00 C ATOM 1214 CE LYS A 73 -12.623 -2.292 -6.535 1.00 0.00 C ATOM 1215 NZ LYS A 73 -13.724 -1.643 -7.301 1.00 0.00 N ATOM 0 H LYS A 73 -10.316 -4.860 -2.580 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.542 -3.265 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.864 -4.920 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.396 -4.082 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.336 -2.205 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.839 -3.032 -4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.692 -2.103 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.451 -0.888 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.662 -1.979 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.684 -3.373 -6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.650 -1.905 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.641 -1.961 -6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.651 -0.610 -7.206 1.00 0.00 H new